coupling_vectors    :real:3:3,6,3
  0.176378239556522E-002  0.241031621746970E-002  0.208820707691870E-002
  0.812478157494160E-003  0.136395805191582E-002  0.216337593343031E-002
  0.727374994024294E-003  0.346673664645296E-003  0.564341632374248E-003
  0.591492475291898E-003  0.180743633702894E-002  0.557554786227983E-003
  0.492499230696765E-003  0.162086428200519E-002  0.527161392901398E-003
  0.764893853046425E-003  0.700014293909913E-006  0.669903882212455E-003
  0.489709118768046E-009  0.415255819560786E-009  0.335447522395183E-009
  0.818094694672460E-010  0.184851504570926E-009  0.348845128568008E-009
  0.128510641421558E-009  0.733882713872359E-010  0.182684044111254E-009
  0.119996111163777E-009  0.276342288106199E-009  0.473386112099158E-011
  0.515089064813274E-010  0.273568767577525E-009  0.177147189867079E-009
  0.107883990234251E-009  0.231920029392940E-010  0.142005992970973E-010
  0.176862298954939E-002  0.239790455484381E-002  0.207563764242365E-002
  0.791679149158199E-003  0.135318450415478E-002  0.215045143977327E-002
  0.723870380472565E-003  0.345912149820424E-003  0.567840109056693E-003
  0.589802769706593E-003  0.179550559626619E-002  0.547133325457542E-003
  0.487464627680770E-003  0.161209610532052E-002  0.530916755242491E-003
  0.759164360847665E-003  0.242479240853924E-005  0.658870476621409E-003
orbital_charges     :real:2:4,6
  0.117554908944582E+001  0.679962206927793E+000  0.175838244981662E+001
  0.956916445869780E+000  0.117698329231514E+001  0.666438506752767E+000
  0.177069969257431E+001  0.952262620795611E+000  0.718810477462321E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.711998139222613E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.713180047212032E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.718817031605167E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,6
 -0.438693397895583E+000  0.239208264598981E-001  0.177970269238523E-001
  0.446961083941583E+000 -0.195964164137699E-001  0.874297025358316E-002
 -0.170717054230512E-002 -0.207488132760339E-001  0.492701511951692E-001
 -0.248929302226152E-002  0.910491499592420E-002 -0.659517477320945E-001
 -0.345612517524896E-002 -0.166805896684778E-001 -0.619273419292205E-001
 -0.615097306184315E-003  0.240000779024592E-001  0.520689412887103E-001
total_energy        :real:0:
 -0.535550010401270E+001
end_coords          :real:2:3,6
 -0.128243929851943E+001  0.120076212875887E-001 -0.702458582077099E-001
  0.120136687886973E+001 -0.352212798929305E-002 -0.772159235439844E-001
 -0.240923297894842E+001  0.179495536097774E+001 -0.167165916840087E+000
 -0.237889354158535E+001 -0.174027285137498E+001 -0.209048254075640E+000
  0.239190105468801E+001  0.171296289043598E+001 -0.229930992365849E+000
  0.230880286767582E+001 -0.181206807702347E+001 -0.956482352475437E-001
